N-[6-[4-(4-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[6-[4-(4-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide CAS Name: N-[6-[4-[(4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: N-[6-(4-p-anisoyl-1,4-diazepan-1-yl)-3-pyridyl]-2-phenoxy-acetamide Formula: C26H28N4O4 MolecularWeight: 460.52492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-33-22-11-8-20(9-12-22)26(32)30-15-5-14-29(16-17-30)24-13-10-21(18-27-24)28-25(31)19-34-23-6-3-2-4-7-23/h2-4,6-13,18H,5,14-17,19H2,1H3,(H,28,31)